- Conference date: 15-17 November 2004
- Location: Cambridge, Massachusetts (USA)
We have developed an ab initio multi‐configuration Dirac‐Fock‐Sturm method for the precise calculation of X‐ray emission spectra, including energies, transition wavelengths and transition probabilities. The calculations are based on non‐orthogonal basis sets, generated by solving the Dirac‐Fock and Dirac‐Fock‐Sturm equations. Inclusion of Sturm functions into the basis set provides an efficient description of correlation effects in highly charged ions and fast convergence of the configuration interaction procedure.
A second part of our study is devoted to developing a theoretical procedure and creating an interactive database to generate energies and transition frequencies for hydrogen‐like ions. This procedure is highly accurate and based on current knowledge of the relevant theory, which includes relativistic, quantum electrodynamic, recoil, and nuclear size effects.
- Quantum electrodynamic effects
- Ab initio calculations
- Basis sets
- Configuration interaction
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